3-(1-phenylethyl)cyclohepta-1,3,5-triene

C15H16 — CID 123815989

IUPAC3-(1-phenylethyl)cyclohepta-1,3,5-triene
SMILESCC(C1=CC=CCC=C1)c1ccccc1
InChIInChI=1S/C15H16/c1-13(15-11-7-4-8-12-15)14-9-5-2-3-6-10-14/h2,4-13H,3H2,1H3
InChIKeyHDZXNNZHPRUYQK-UHFFFAOYSA-N
MW196.29 g/mol
LogP4.23
Rot. Bonds2

About 3-(1-phenylethyl)cyclohepta-1,3,5-triene

3-(1-phenylethyl)cyclohepta-1,3,5-triene (PubChem CID 123815989) has the molecular formula C15H16 and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-(1-phenylethyl)cyclohepta-1,3,5-triene.

Molecular Properties

Compound Name3-(1-phenylethyl)cyclohepta-1,3,5-triene
PubChem CID123815989
Molecular FormulaC15H16
Molecular Weight196.29 g/mol
Exact Mass196.13
IUPAC Name3-(1-phenylethyl)cyclohepta-1,3,5-triene
SMILESCC(C1=CC=CCC=C1)c1ccccc1
InChIInChI=1S/C15H16/c1-13(15-11-7-4-8-12-15)14-9-5-2-3-6-10-14/h2,4-13H,3H2,1H3
InChIKeyHDZXNNZHPRUYQK-UHFFFAOYSA-N
XLogP4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-cyclopenta-1,3-dien-1-ylethylbenzene
CID 11116496
1-phenylethylbenzene
CID 142851428
1-phenylethylbenzene
CID 11918
1-cyclohexa-1,3-dien-1-ylethylbenzene;osmium
CID 145295082
1-phenylethylbenzene;stibane
CID 174965918
ethane;1-phenylethylbenzene
CID 164998811
7-cyclohepta-1,3,6-trien-1-yl-3-(hydroxymethyl)-5-phenyldecane-1,10-diol
CID 138485830
1-(4-methylcyclohexa-1,5-dien-1-yl)ethylbenzene
CID 154542947
cumene;cyclopenta-1,3-diene;hydron;hexafluorophosphate
CID 174818615
ethane;methane;1-phenylethylbenzene
CID 143105414
3-(2-phenylpropan-2-yl)cyclohepta-1,3,5-triene
CID 91047474
cyclohepta-1,3,6-trien-1-yl-dimethyl-phenylazanium
CID 90938590

Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylethyl)cyclohepta-1,3,5-triene?
The IUPAC name of 3-(1-phenylethyl)cyclohepta-1,3,5-triene (CID 123815989) is 3-(1-phenylethyl)cyclohepta-1,3,5-triene.
What is the SMILES notation for 3-(1-phenylethyl)cyclohepta-1,3,5-triene?
The canonical SMILES for 3-(1-phenylethyl)cyclohepta-1,3,5-triene is CC(C1=CC=CCC=C1)c1ccccc1.
What is the InChIKey of 3-(1-phenylethyl)cyclohepta-1,3,5-triene?
The InChIKey is HDZXNNZHPRUYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16/c1-13(15-11-7-4-8-12-15)14-9-5-2-3-6-10-14/h2,4-13H,3H2,1H3.
What are the key properties of 3-(1-phenylethyl)cyclohepta-1,3,5-triene?
3-(1-phenylethyl)cyclohepta-1,3,5-triene has a molecular weight of 196.29 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylethyl)cyclohepta-1,3,5-triene is sourced from PubChem (CID 123815989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).